CID 137321746

1h-isoindol-3-amine, 1-imino-5-phenyl-

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=N)N=C3N
InChI
InChI=1S/C14H11N3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
InChIKey
LXPAHWDZVJKVJT-UHFFFAOYSA-N
Compound name
3-imino-6-phenylisoindol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09529 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10257 146.8
[M+Na]+ 244.08451 156.3
[M-H]- 220.08801 153.6
[M+NH4]+ 239.12911 166.1
[M+K]+ 260.05845 150.6
[M+H-H2O]+ 204.09255 139.2
[M+HCOO]- 266.09349 172.3
[M+CH3COO]- 280.10914 160.1
[M+Na-2H]- 242.06996 153.3
[M]+ 221.09474 144.3
[M]- 221.09584 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.